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Cyclopropan-1,1-dicarbonsure
CYCLOPROPANE-1,1-DICARBOXYLIC ACID · RARECHEM AL BO 0836 · Cabozantinib Impurity 72 · 1,1-Dicarboxycyclopropane · Cyclopropan-1,1-dicarbonsure · 1,1-cyclopropanedicarboxylate · CYCLOPROPANE-1,1-DICARBOXYLIC · cyclopropanedicarboxylic acid
Identifikatoren & physikalische Daten
| CAS No. | 598-10-7 |
|---|---|
| Summenformel | C5H6O4 |
| Durchschnittliche Molmasse | 130,1 g/mol |
| Monoisotopische Masse | 130,02660867 g/mol |
| SMILES | O=C(O)C1(C(=O)O)CC1 |
| InChIKey | FDKLLWKMYAMLIF-UHFFFAOYSA-N |
| PubChem CID | 69017 |
| ChEMBL | CHEMBL1993862 |
| EC No. | 209-917-2 |
| DTXSID | DTXSID20208526 |
| Lokaler Name | Cyclopropan-1,1-dicarbonsure |
Chemische & physikalische Eigenschaften
| XLogP | -0,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 74,6 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 152 |
| SpringerMaterials Properties | Crystal structure |
| Schmelzpunkt | 134-136 °C(lit.) |
| Siedepunkt | 200.75°C (rough estimate) |
| Dichte | 1.3985 (rough estimate) |
| Brechungsindex | 1.5800 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | methanol: soluble1g/10 mL, clear, colorless |
| pKa (Säurekonstante) | 1.82(at 25℃) |
| Aggregatzustand | powder to crystal |
| Farbe | White to Almost white |
| BRN | 1864823 |
| InChI | InChI=1S/C5H6O4/c6-3(7)5(1-2-5)4(8)9/h1-2H2,(H,6,7)(H,8,9) |
| InChIKey | FDKLLWKMYAMLIF-UHFFFAOYSA-N |
| SMILES | C1(C(O)=O)(C(O)=O)CC1 |
| CAS Datenbank | 598-10-7(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (98.1%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 52 reports by companies from 6 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1A (98.1%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3261 8/PG 2 |
| Zollcode | 29172090 |
| R-Sätze (R) | 36/37/38-34 |
| Gefahrensymbole | Xi,C |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36-45-36/37/39 |
| Gefahrenklasse | 8Skin Corr. 1B |
| Verpackungsgruppe | III |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
1,1-Cyclopropanedicarboxylic acid is used to prepare spiro-cyclopropyl metallocycles.1